ethyl 4-chloro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxylate;ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrimidin-2-ylpyridine-2-carboxylate;tributyl(pyrimidin-2-yl)stannane

C62H71ClN8O8Sn — CID 157099950

About ethyl 4-chloro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxylate;ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrimidin-2-ylpyridine-2-carboxylate;tributyl(pyrimidin-2-yl)stannane

ethyl 4-chloro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxylate;ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrimidin-2-ylpyridine-2-carboxylate;tributyl(pyrimidin-2-yl)stannane (PubChem CID 157099950) has the molecular formula C62H71ClN8O8Sn and a molecular weight of 1210.46 g/mol. Its IUPAC name is ethyl 4-chloro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxylate;ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrimidin-2-ylpyridine-2-carboxylate;tributyl(pyrimidin-2-yl)stannane.

Molecular Properties

• Compound Name: ethyl 4-chloro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxylate;ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrimidin-2-ylpyridine-2-carboxylate;tributyl(pyrimidin-2-yl)stannane
• PubChem CID: 157099950
• Molecular Formula: C62H71ClN8O8Sn
• Molecular Weight: 1210.46 g/mol
• Exact Mass: 1210.41
• IUPAC Name: ethyl 4-chloro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxylate;ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrimidin-2-ylpyridine-2-carboxylate;tributyl(pyrimidin-2-yl)stannane
• SMILES: CCCC[Sn](CCCC)(CCCC)c1ncccn1.CCOC(=O)c1cc(-c2ncccn2)cc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1.CCOC(=O)c1cc(Cl)cc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1
• InChI: InChI=1S/C25H22N4O4.C21H19ClN2O4.C4H3N2.3C4H9.Sn/c1-3-33-23(30)21-16-19(22-26-11-5-12-27-22)15-20(28-21)18-7-4-6-17(14-18)8-9-25(32)10-13-29(2)24(25)31;1-3-28-19(25)18-13-16(22)12-17(23-18)15-6-4-5-14(11-15)7-8-21(27)9-10-24(2)20(21)26;1-2-5-4-6-3-1;3*1-3-4-2;/h4-7,11-12,14-16,32H,3,10,13H2,1-2H3;4-6,11-13,27H,3,9-10H2,1-2H3;1-3H;3*1,3-4H2,2H3;/t25-;21-;;;;;/m00...../s1
• InChIKey: AFQMSDRHAHNDDT-ZRFUZXDLSA-N
• XLogP: 9.38
• TPSA: 211.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1210.46
LogP ≤ 5	9.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxylate;ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrimidin-2-ylpyridine-2-carboxylate;tributyl(pyrimidin-2-yl)stannane?

The IUPAC name of ethyl 4-chloro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxylate;ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrimidin-2-ylpyridine-2-carboxylate;tributyl(pyrimidin-2-yl)stannane (CID 157099950) is ethyl 4-chloro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxylate;ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrimidin-2-ylpyridine-2-carboxylate;tributyl(pyrimidin-2-yl)stannane.

What is the SMILES notation for ethyl 4-chloro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxylate;ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrimidin-2-ylpyridine-2-carboxylate;tributyl(pyrimidin-2-yl)stannane?

The canonical SMILES for ethyl 4-chloro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxylate;ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrimidin-2-ylpyridine-2-carboxylate;tributyl(pyrimidin-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1ncccn1.CCOC(=O)c1cc(-c2ncccn2)cc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1.CCOC(=O)c1cc(Cl)cc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1.

What is the InChIKey of ethyl 4-chloro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxylate;ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrimidin-2-ylpyridine-2-carboxylate;tributyl(pyrimidin-2-yl)stannane?

The InChIKey is AFQMSDRHAHNDDT-ZRFUZXDLSA-N. The full InChI is InChI=1S/C25H22N4O4.C21H19ClN2O4.C4H3N2.3C4H9.Sn/c1-3-33-23(30)21-16-19(22-26-11-5-12-27-22)15-20(28-21)18-7-4-6-17(14-18)8-9-25(32)10-13-29(2)24(25)31;1-3-28-19(25)18-13-16(22)12-17(23-18)15-6-4-5-14(11-15)7-8-21(27)9-10-24(2)20(21)26;1-2-5-4-6-3-1;3*1-3-4-2;/h4-7,11-12,14-16,32H,3,10,13H2,1-2H3;4-6,11-13,27H,3,9-10H2,1-2H3;1-3H;3*1,3-4H2,2H3;/t25-;21-;;;;;/m00...../s1.

What are the key properties of ethyl 4-chloro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxylate;ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrimidin-2-ylpyridine-2-carboxylate;tributyl(pyrimidin-2-yl)stannane?

ethyl 4-chloro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxylate;ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrimidin-2-ylpyridine-2-carboxylate;tributyl(pyrimidin-2-yl)stannane has a molecular weight of 1210.46 g/mol, XLogP of 9.38, 17 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-chloro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxylate;ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrimidin-2-ylpyridine-2-carboxylate;tributyl(pyrimidin-2-yl)stannane is sourced from PubChem (CID 157099950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).